N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide

C23H14ClF2N3O — CID 3961948

IUPACN-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESO=C(NN=Cc1c(F)cccc1Cl)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C23H14ClF2N3O/c24-19-5-3-6-20(26)18(19)13-27-29-23(30)17-12-22(14-8-10-15(25)11-9-14)28-21-7-2-1-4-16(17)21/h1-13H,(H,29,30)
InChIKeyANLIKOWSKFENGS-UHFFFAOYSA-N
MW421.83 g/mol
LogP5.60
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide

N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide (PubChem CID 3961948) has the molecular formula C23H14ClF2N3O and a molecular weight of 421.83 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
PubChem CID3961948
Molecular FormulaC23H14ClF2N3O
Molecular Weight421.83 g/mol
Exact Mass421.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESO=C(NN=Cc1c(F)cccc1Cl)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C23H14ClF2N3O/c24-19-5-3-6-20(26)18(19)13-27-29-23(30)17-12-22(14-8-10-15(25)11-9-14)28-21-7-2-1-4-16(17)21/h1-13H,(H,29,30)
InChIKeyANLIKOWSKFENGS-UHFFFAOYSA-N
XLogP5.60
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.83
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]quinoline-4-carboxamide
CID 16553728
N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5161024
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3897385
2-(4-fluorophenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 42991492
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884313
2-(4-fluorophenyl)-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 3482852
2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide
CID 1012448
N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3469797
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 6903341
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]quinoline-4-carboxamide
CID 136658791

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide (CID 3961948) is N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide is O=C(NN=Cc1c(F)cccc1Cl)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The InChIKey is ANLIKOWSKFENGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF2N3O/c24-19-5-3-6-20(26)18(19)13-27-29-23(30)17-12-22(14-8-10-15(25)11-9-14)28-21-7-2-1-4-16(17)21/h1-13H,(H,29,30).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide?
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide has a molecular weight of 421.83 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3961948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).